(3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate

C11H14O6 — CID 67724613

IUPAC(3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate
SMILESCOC1OC(COC(C)=O)=CC=C1OC(C)=O
InChIInChI=1S/C11H14O6/c1-7(12)15-6-9-4-5-10(16-8(2)13)11(14-3)17-9/h4-5,11H,6H2,1-3H3
InChIKeyBUWMTTCWPLTXBB-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.88
Rot. Bonds4

About (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate

(3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate (PubChem CID 67724613) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate.

Molecular Properties

Compound Name(3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate
PubChem CID67724613
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name(3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate
SMILESCOC1OC(COC(C)=O)=CC=C1OC(C)=O
InChIInChI=1S/C11H14O6/c1-7(12)15-6-9-4-5-10(16-8(2)13)11(14-3)17-9/h4-5,11H,6H2,1-3H3
InChIKeyBUWMTTCWPLTXBB-UHFFFAOYSA-N
XLogP0.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate?
The IUPAC name of (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate (CID 67724613) is (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate.
What is the SMILES notation for (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate?
The canonical SMILES for (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate is COC1OC(COC(C)=O)=CC=C1OC(C)=O.
What is the InChIKey of (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate?
The InChIKey is BUWMTTCWPLTXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-7(12)15-6-9-4-5-10(16-8(2)13)11(14-3)17-9/h4-5,11H,6H2,1-3H3.
What are the key properties of (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate?
(3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate has a molecular weight of 242.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-2-methoxy-2H-pyran-6-yl)methyl acetate is sourced from PubChem (CID 67724613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).